# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C8D' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 4.60400 -0.46200 0.48800 1.000 C1 C 4.58500 0.68000 0.07300 1.000 O2 O 5.73400 1.28700 -0.27900 1.000 C3 C 6.95700 0.51800 -0.13700 1.000 C4 C 8.15000 1.45000 0.16200 1.000 C5 C 9.35700 0.87600 -0.60000 1.000 C6 C 8.85700 -0.38500 -1.33400 1.000 C7 C 7.33100 -0.16000 -1.47800 1.000 N8 N 3.41400 1.33600 -0.04100 1.000 C9 C 2.16300 0.67300 0.33600 1.000 C10 C 1.93700 0.82900 1.84200 1.000 C11 C 1.96100 2.31300 2.21000 1.000 C12 C 0.57900 0.23200 2.21800 1.000 C13 C 3.04400 0.09600 2.60200 1.000 C14 C 1.01600 1.30100 -0.41200 1.000 O15 O 1.04100 2.48400 -0.67900 1.000 N16 N -0.03800 0.54900 -0.78400 1.000 C17 C -1.25800 1.04600 -1.43700 1.000 C18 C -1.93300 2.06400 -0.55400 1.000 N19 N -3.07600 2.65400 -0.95700 1.000 C20 C -3.73200 3.64400 -0.09900 1.000 C21 C -4.15500 4.84900 -0.94100 1.000 C22 C -4.84000 5.88300 -0.04400 1.000 O23 O -5.23500 7.00800 -0.83100 1.000 B24 B -4.99900 3.00000 0.56800 1.000 O25 O -6.05100 2.49900 -0.24400 1.000 O26 O -5.08400 2.92800 1.83300 1.000 O27 O -1.44800 2.35200 0.52000 1.000 C28 C -0.15700 -0.91100 -0.61100 1.000 C29 C -1.68100 -1.18600 -0.59600 1.000 C30 C -2.19100 -0.16500 -1.64900 1.000 O31 O -1.96400 -2.52600 -1.00500 1.000 C32 C -2.03700 -3.46400 -0.03000 1.000 N33 N -1.85200 -3.12500 1.23000 1.000 C34 C -1.91400 -4.00100 2.22400 1.000 C35 C -2.17400 -5.31900 2.00700 1.000 C36 C -2.38300 -5.76100 0.68700 1.000 C37 C -2.31900 -4.80600 -0.35900 1.000 C38 C -2.65600 -7.10300 0.38400 1.000 C39 C -2.85000 -7.47000 -0.91400 1.000 C40 C -2.78100 -6.53300 -1.94300 1.000 C41 C -2.52900 -5.22000 -1.68200 1.000 H42 H 3.39800 2.24700 -0.37200 1.000 H43 H 6.84900 -0.22700 0.65200 1.000 H44 H 7.93200 2.45900 -0.18900 1.000 H45 H 8.35500 1.46300 1.23200 1.000 H46 H 6.80900 -1.11000 -1.58900 1.000 H47 H 7.11600 0.50100 -2.31800 1.000 H48 H 9.72600 1.60700 -1.32000 1.000 H49 H 10.14900 0.61100 0.10100 1.000 H50 H 9.32500 -0.46600 -2.31500 1.000 H51 H 9.05700 -1.27600 -0.74000 1.000 H52 H 2.22400 -0.38700 0.08600 1.000 H53 H 1.17300 2.83500 1.66800 1.000 H54 H 1.80000 2.42500 3.28200 1.000 H55 H 2.92900 2.73800 1.94200 1.000 H56 H 0.59000 -0.84200 2.03400 1.000 H57 H 0.38000 0.41900 3.27300 1.000 H58 H -0.20100 0.69600 1.61400 1.000 H59 H 4.01100 0.52100 2.33500 1.000 H60 H 2.88300 0.20700 3.67500 1.000 H61 H 3.02600 -0.96200 2.34000 1.000 H62 H -1.00800 1.49700 -2.39700 1.000 H63 H 0.31500 -1.43100 -1.44500 1.000 H64 H 0.29400 -1.21800 0.33300 1.000 H65 H -3.22800 0.10800 -1.45400 1.000 H66 H -2.08000 -0.56600 -2.65600 1.000 H67 H -3.46400 2.42400 -1.81600 1.000 H68 H -3.03800 3.96800 0.67700 1.000 H69 H -3.27500 5.29600 -1.40400 1.000 H70 H -4.84800 4.52500 -1.71700 1.000 H71 H -5.72000 5.43600 0.41800 1.000 H72 H -4.14600 6.20700 0.73200 1.000 H73 H -5.67700 7.70500 -0.32700 1.000 H74 H -6.81100 2.11200 0.21200 1.000 H75 H -2.10500 -0.98200 0.38700 1.000 H76 H -1.75200 -3.65800 3.23500 1.000 H77 H -2.21800 -6.01300 2.83300 1.000 H78 H -2.71100 -7.83900 1.17200 1.000 H79 H -2.47900 -4.50500 -2.49000 1.000 H80 H -3.06000 -8.50300 -1.14900 1.000 H81 H -2.93800 -6.85200 -2.96300 1.000